2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one

C20H26N4O2 — CID 95823280

IUPAC2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(Oc2ccccc2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-13-17(26-16-7-5-4-6-8-16)23-18(22-14)15-9-11-24(12-10-15)19(25)20(2,3)21/h4-8,13,15H,9-12,21H2,1-3H3
InChIKeyGAEQRJFCHBFMAW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.02
Rot. Bonds4

About 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one

2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95823280) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95823280
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(Oc2ccccc2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-13-17(26-16-7-5-4-6-8-16)23-18(22-14)15-9-11-24(12-10-15)19(25)20(2,3)21/h4-8,13,15H,9-12,21H2,1-3H3
InChIKeyGAEQRJFCHBFMAW-UHFFFAOYSA-N
XLogP3.02
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one (CID 95823280) is 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one is Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GAEQRJFCHBFMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-13-17(26-16-7-5-4-6-8-16)23-18(22-14)15-9-11-24(12-10-15)19(25)20(2,3)21/h4-8,13,15H,9-12,21H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95823280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).